Base information
| Cat. No. | |
| CAS No. | 85547-22-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.247 |
| Exact Mass | 228.09 |
| XLogP3 | 2.7862 |
| Mr | 70.1377 |
| PSA | 43.38 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc2ccnc3c2c(c1OC)NC=C3 |
